3-oxo-N-propylbutanamide

C7H13NO2 — CID 4671860

IUPAC3-oxo-N-propylbutanamide
SMILESCCCNC(=O)CC(C)=O
InChIInChI=1S/C7H13NO2/c1-3-4-8-7(10)5-6(2)9/h3-5H2,1-2H3,(H,8,10)
InChIKeyVXNINNWMDGTACV-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.49
Rot. Bonds4

About 3-oxo-N-propylbutanamide

3-oxo-N-propylbutanamide (PubChem CID 4671860) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-oxo-N-propylbutanamide.

Molecular Properties

Compound Name3-oxo-N-propylbutanamide
PubChem CID4671860
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-oxo-N-propylbutanamide
SMILESCCCNC(=O)CC(C)=O
InChIInChI=1S/C7H13NO2/c1-3-4-8-7(10)5-6(2)9/h3-5H2,1-2H3,(H,8,10)
InChIKeyVXNINNWMDGTACV-UHFFFAOYSA-N
XLogP0.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-Methylacetoacetamide
CID 88483
N,N'-ethylenebis(3-oxobutyramide)
CID 73858
N-Ethyl-3-oxobutanamide
CID 24988
N-(2-hydroxyethyl)acetoacetamide
CID 90459
N-Cyclopentylacetoacetamide
CID 252488
Butanamide, N-propyl-
CID 231083
N-Ethylbutanamide
CID 518695
N-Butylpropanamide
CID 221431
Ethanethiol, 2-(acetoacetylamino)-
CID 115912
N-Hexyl-3-oxobutanamide
CID 12920957
N-acetonylpropanamide
CID 23550155
3-Oxo-N-2-propen-1-ylbutanamide
CID 537215

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-propylbutanamide?
The IUPAC name of 3-oxo-N-propylbutanamide (CID 4671860) is 3-oxo-N-propylbutanamide.
What is the SMILES notation for 3-oxo-N-propylbutanamide?
The canonical SMILES for 3-oxo-N-propylbutanamide is CCCNC(=O)CC(C)=O.
What is the InChIKey of 3-oxo-N-propylbutanamide?
The InChIKey is VXNINNWMDGTACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-8-7(10)5-6(2)9/h3-5H2,1-2H3,(H,8,10).
What are the key properties of 3-oxo-N-propylbutanamide?
3-oxo-N-propylbutanamide has a molecular weight of 143.19 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-propylbutanamide is sourced from PubChem (CID 4671860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).